4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

C11H9N5O5 — CID 63649872

IUPAC4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H9N5O5/c17-10(6-15-5-8(4-13-15)16(20)21)14-7-1-2-12-9(3-7)11(18)19/h1-5H,6H2,(H,18,19)(H,12,14,17)
InChIKeyAPMIMCUSAJZHNT-UHFFFAOYSA-N
MW291.22 g/mol
LogP0.52
Rot. Bonds5

About 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 63649872) has the molecular formula C11H9N5O5 and a molecular weight of 291.22 g/mol. Its IUPAC name is 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID63649872
Molecular FormulaC11H9N5O5
Molecular Weight291.22 g/mol
Exact Mass291.06
IUPAC Name4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H9N5O5/c17-10(6-15-5-8(4-13-15)16(20)21)14-7-1-2-12-9(3-7)11(18)19/h1-5H,6H2,(H,18,19)(H,12,14,17)
InChIKeyAPMIMCUSAJZHNT-UHFFFAOYSA-N
XLogP0.52
TPSA140.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642913
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 5047489
5-[[2-(4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474344
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
2-methyl-2-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697013
1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19516097
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
methyl 2-[3-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]propanoate
CID 126815110
N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19515992
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
CID 63651069

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 63649872) is 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is APMIMCUSAJZHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O5/c17-10(6-15-5-8(4-13-15)16(20)21)14-7-1-2-12-9(3-7)11(18)19/h1-5H,6H2,(H,18,19)(H,12,14,17).
What are the key properties of 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 291.22 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63649872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).